7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine

C327H363N13 — CID 139261878

IUPAC7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(/C=C/c4ccc(N(c6ccc(/C=C/c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc9nc(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)c(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)nc9cc7-8)cc6)c6ccc(/C=C/c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc9nc(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)c(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)nc9cc7-8)cc6)cc4)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C327H363N13/c1-19-37-55-109-199-319(200-110-56-38-20-2)289-217-241(163-184-283(289)286-232-307-310(235-304(286)319)331-316(247-169-190-274-280-196-181-268(338(256-139-97-79-98-140-256)257-141-99-80-100-142-257)229-301(280)325(295(274)223-247,211-121-67-49-31-13)212-122-68-50-32-14)313(328-307)244-166-187-271-277-193-178-265(335(250-127-85-73-86-128-250)251-129-87-74-88-130-251)226-298(277)322(292(271)220-244,205-115-61-43-25-7)206-116-62-44-26-8)154-151-238-157-172-262(173-158-238)334(263-174-159-239(160-175-263)152-155-242-164-185-284-287-233-308-311(236-305(287)320(290(284)218-242,201-111-57-39-21-3)202-112-58-40-22-4)332-317(248-170-191-275-281-197-182-269(339(258-143-101-81-102-144-258)259-145-103-82-104-146-259)230-302(281)326(296(275)224-248,213-123-69-51-33-15)214-124-70-52-34-16)314(329-308)245-167-188-272-278-194-179-266(336(252-131-89-75-90-132-252)253-133-91-76-92-134-253)227-299(278)323(293(272)221-245,207-117-63-45-27-9)208-118-64-46-28-10)264-176-161-240(162-177-264)153-156-243-165-186-285-288-234-309-312(237-306(288)321(291(285)219-243,203-113-59-41-23-5)204-114-60-42-24-6)333-318(249-171-192-276-282-198-183-270(340(260-147-105-83-106-148-260)261-149-107-84-108-150-261)231-303(282)327(297(276)225-249,215-125-71-53-35-17)216-126-72-54-36-18)315(330-309)246-168-189-273-279-195-180-267(337(254-135-93-77-94-136-254)255-137-95-78-96-138-255)228-300(279)324(294(273)222-246,209-119-65-47-29-11)210-120-66-48-30-12/h73-108,127-198,217-237H,19-72,109-126,199-216H2,1-18H3/b154-151+,155-152+,156-153+
InChIKeyPZXIZIGIRHAROG-DSRJQAKNSA-N
MW4475.59 g/mol
LogP98.18
Rot. Bonds123

About 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine

7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine (PubChem CID 139261878) has the molecular formula C327H363N13 and a molecular weight of 4475.59 g/mol. Its IUPAC name is 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
PubChem CID139261878
Molecular FormulaC327H363N13
Molecular Weight4475.59 g/mol
Exact Mass4471.88
IUPAC Name7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(/C=C/c4ccc(N(c6ccc(/C=C/c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc9nc(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)c(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)nc9cc7-8)cc6)c6ccc(/C=C/c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc9nc(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)c(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)nc9cc7-8)cc6)cc4)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C327H363N13/c1-19-37-55-109-199-319(200-110-56-38-20-2)289-217-241(163-184-283(289)286-232-307-310(235-304(286)319)331-316(247-169-190-274-280-196-181-268(338(256-139-97-79-98-140-256)257-141-99-80-100-142-257)229-301(280)325(295(274)223-247,211-121-67-49-31-13)212-122-68-50-32-14)313(328-307)244-166-187-271-277-193-178-265(335(250-127-85-73-86-128-250)251-129-87-74-88-130-251)226-298(277)322(292(271)220-244,205-115-61-43-25-7)206-116-62-44-26-8)154-151-238-157-172-262(173-158-238)334(263-174-159-239(160-175-263)152-155-242-164-185-284-287-233-308-311(236-305(287)320(290(284)218-242,201-111-57-39-21-3)202-112-58-40-22-4)332-317(248-170-191-275-281-197-182-269(339(258-143-101-81-102-144-258)259-145-103-82-104-146-259)230-302(281)326(296(275)224-248,213-123-69-51-33-15)214-124-70-52-34-16)314(329-308)245-167-188-272-278-194-179-266(336(252-131-89-75-90-132-252)253-133-91-76-92-134-253)227-299(278)323(293(272)221-245,207-117-63-45-27-9)208-118-64-46-28-10)264-176-161-240(162-177-264)153-156-243-165-186-285-288-234-309-312(237-306(288)321(291(285)219-243,203-113-59-41-23-5)204-114-60-42-24-6)333-318(249-171-192-276-282-198-183-270(340(260-147-105-83-106-148-260)261-149-107-84-108-150-261)231-303(282)327(297(276)225-249,215-125-71-53-35-17)216-126-72-54-36-18)315(330-309)246-168-189-273-279-195-180-267(337(254-135-93-77-94-136-254)255-137-95-78-96-138-255)228-300(279)324(294(273)222-246,209-119-65-47-29-11)210-120-66-48-30-12/h73-108,127-198,217-237H,19-72,109-126,199-216H2,1-18H3/b154-151+,155-152+,156-153+
InChIKeyPZXIZIGIRHAROG-DSRJQAKNSA-N
XLogP98.18
TPSA100.02 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds123
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004475.59
LogP ≤ 598.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine (CID 139261878) is 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(/C=C/c4ccc(N(c6ccc(/C=C/c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc9nc(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)c(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)nc9cc7-8)cc6)c6ccc(/C=C/c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc9nc(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)c(-c%10ccc%11c(c%10)C(CCCCCC)(CCCCCC)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10-%11)nc9cc7-8)cc6)cc4)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The InChIKey is PZXIZIGIRHAROG-DSRJQAKNSA-N. The full InChI is InChI=1S/C327H363N13/c1-19-37-55-109-199-319(200-110-56-38-20-2)289-217-241(163-184-283(289)286-232-307-310(235-304(286)319)331-316(247-169-190-274-280-196-181-268(338(256-139-97-79-98-140-256)257-141-99-80-100-142-257)229-301(280)325(295(274)223-247,211-121-67-49-31-13)212-122-68-50-32-14)313(328-307)244-166-187-271-277-193-178-265(335(250-127-85-73-86-128-250)251-129-87-74-88-130-251)226-298(277)322(292(271)220-244,205-115-61-43-25-7)206-116-62-44-26-8)154-151-238-157-172-262(173-158-238)334(263-174-159-239(160-175-263)152-155-242-164-185-284-287-233-308-311(236-305(287)320(290(284)218-242,201-111-57-39-21-3)202-112-58-40-22-4)332-317(248-170-191-275-281-197-182-269(339(258-143-101-81-102-144-258)259-145-103-82-104-146-259)230-302(281)326(296(275)224-248,213-123-69-51-33-15)214-124-70-52-34-16)314(329-308)245-167-188-272-278-194-179-266(336(252-131-89-75-90-132-252)253-133-91-76-92-134-253)227-299(278)323(293(272)221-245,207-117-63-45-27-9)208-118-64-46-28-10)264-176-161-240(162-177-264)153-156-243-165-186-285-288-234-309-312(237-306(288)321(291(285)219-243,203-113-59-41-23-5)204-114-60-42-24-6)333-318(249-171-192-276-282-198-183-270(340(260-147-105-83-106-148-260)261-149-107-84-108-150-261)231-303(282)327(297(276)225-249,215-125-71-53-35-17)216-126-72-54-36-18)315(330-309)246-168-189-273-279-195-180-267(337(254-135-93-77-94-136-254)255-137-95-78-96-138-255)228-300(279)324(294(273)222-246,209-119-65-47-29-11)210-120-66-48-30-12/h73-108,127-198,217-237H,19-72,109-126,199-216H2,1-18H3/b154-151+,155-152+,156-153+.
What are the key properties of 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine has a molecular weight of 4475.59 g/mol, XLogP of 98.18, 123 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 139261878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).